SCHEMBL16300044

SCHEMBL16300044

OCc1ccc2c(cnn2-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMO Q99835 14/20 0.55
NR3C1 P04150 4/20 0.50
CYP11B2 P19099 1/20 0.44
MGLL Q99685 1/20 0.43
PGR P06401 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1360932 0.85 SMO (0.61) SMONR3C1PGR
SCHEMBL19763367 0.85 SMO (0.58) SMONR3C1CYP11B2
SCHEMBL17892124 0.84 SMO (0.52) SMONR3C1CYP11B2MGLLPGR
SCHEMBL4286821 0.82 SMO (0.53) SMONR3C1CYP11B2MGLLPGR
SCHEMBL17892204 0.82 SMO (0.50) SMONR3C1CYP11B2MGLLPGR
SCHEMBL4760701 0.81 SMO (0.56) SMONR3C1
SCHEMBL4274224 0.81 SMO (0.53) SMONR3C1
SCHEMBL17892218 0.81 SMO (0.49) SMONR3C1CYP11B2MGLLPGR
SCHEMBL4283364 0.80 SMO (0.58) SMONR3C1MGLL
SCHEMBL2118008 0.80 CYP11B2 (0.47) SMONR3C1CYP11B2PGR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
US-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NR0B1, NFKB2 SMO 1265/4885NR3C1 5/4885CYP11B2 109/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.